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https://github.com/MDverse/mdda
28 August 2024, 14:59:06 UTC
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RevisionAuthorDateMessageCommit Date
4562c50 Pierre Poulain16 May 2024, 15:18:06 UTCAdd previous results (2024-04-23) in HTML format16 May 2024, 15:18:06 UTC
2f54952 Pierre Poulain23 April 2023, 13:23:05 UTCUpdate data download23 April 2023, 13:23:05 UTC
1dee6e4 Pierre Poulain23 April 2023, 12:36:14 UTCRemove unused notebook23 April 2023, 12:36:14 UTC
bc560e9 Pierre Poulain23 April 2023, 12:32:56 UTCAdd figure for xtc files23 April 2023, 12:32:56 UTC
c6a6472 Pierre Poulain23 April 2023, 11:04:36 UTCAdd instructions to download files23 April 2023, 11:04:36 UTC
e671eea Pierre Poulain23 April 2023, 11:04:03 UTCIgnore results.zip23 April 2023, 11:04:03 UTC
60d047b Pierre Poulain23 April 2023, 11:03:40 UTCAdd jupyterlab execute time23 April 2023, 11:03:40 UTC
7a50905 Pierre Poulain15 March 2023, 14:41:14 UTCAdd BSD-3-clause license15 March 2023, 14:41:14 UTC
e212e8c Pierre Poulain13 March 2023, 22:15:04 UTCUpdate results in notebooks13 March 2023, 22:15:04 UTC
c013707 Pierre Poulain08 March 2023, 10:39:50 UTCDocument results export08 March 2023, 10:39:50 UTC
0ceae9c Pierre Poulain08 March 2023, 10:39:32 UTCUpdate notebooks08 March 2023, 10:39:32 UTC
3744a51 Pierre Poulain05 March 2023, 18:13:51 UTCRead Parquet data files05 March 2023, 18:13:51 UTC
911a89c Pierre Poulain04 March 2023, 23:21:58 UTCUpdate notebooks04 March 2023, 23:21:58 UTC
b1eeb19 Pierre Poulain08 February 2023, 23:58:59 UTCCreate Bash script to build results08 February 2023, 23:58:59 UTC
eab3c3f Pierre Poulain08 February 2023, 16:26:10 UTCChange the calculation of dataframe length08 February 2023, 16:26:10 UTC
af300eb Pierre Poulain08 February 2023, 12:34:44 UTCAdd size of Gromacs files08 February 2023, 12:34:44 UTC
b8bf30c Pierre Poulain08 February 2023, 12:34:24 UTCRemove results before export08 February 2023, 12:34:24 UTC
2a34d22 Pierre Poulain05 February 2023, 17:14:47 UTCAdd new sankey graph with plotly05 February 2023, 17:14:47 UTC
25d400e Pierre Poulain04 February 2023, 00:46:11 UTCUpdate numbers04 February 2023, 00:46:11 UTC
0bca57b Pierre Poulain31 January 2023, 14:19:19 UTCRename notebook31 January 2023, 14:19:19 UTC
0a7b15e Pierre Poulain31 January 2023, 14:17:35 UTCUpdate notebooks with main numbers31 January 2023, 14:17:35 UTC
e5e0744 Pierre Poulain20 January 2023, 22:44:01 UTCUpdate all figures20 January 2023, 22:44:01 UTC
c8cb536 Pierre Poulain19 January 2023, 18:11:26 UTCUpdate Sankey graph19 January 2023, 18:11:26 UTC
e406524 Pierre Poulain18 January 2023, 13:38:33 UTCUpdate figures18 January 2023, 13:38:33 UTC
16e9200 Pierre Poulain17 January 2023, 22:38:24 UTCUpdate notebooks17 January 2023, 22:38:24 UTC
288b7f4 Pierre Poulain17 January 2023, 22:37:59 UTCAdd biopython17 January 2023, 22:37:59 UTC
72e15ca Pierre Poulain01 December 2022, 15:38:30 UTCUpdate instructions to build HTML report01 December 2022, 15:38:30 UTC
fab2281 Pierre Poulain01 December 2022, 15:35:09 UTCIgnore figures01 December 2022, 15:35:09 UTC
92cd23a Pierre Poulain01 December 2022, 15:33:29 UTCUpdate figure papers01 December 2022, 15:33:29 UTC
8ca4487 Pierre Poulain30 November 2022, 23:05:37 UTCUpdate figure 2A30 November 2022, 23:05:37 UTC
7c0c418 Pierre Poulain30 November 2022, 01:02:12 UTCCreate notebook for paper figures30 November 2022, 01:02:12 UTC
b660a6d Pierre Poulain30 November 2022, 01:01:30 UTCAdd pyyaml30 November 2022, 01:01:30 UTC
7123a20 Pierre Poulain29 November 2022, 22:56:48 UTCFix env name29 November 2022, 22:56:48 UTC
d9f5007 Pierre Poulain26 October 2022, 19:26:09 UTCCreate script to download data26 October 2022, 19:26:09 UTC
82738e7 Pierre Poulain26 October 2022, 18:21:56 UTCAdd .gitignore26 October 2022, 18:21:56 UTC
4ba7409 Pierre Poulain26 October 2022, 18:18:09 UTCCreate conda env file26 October 2022, 18:18:09 UTC
fcc0658 Pierre Poulain26 October 2022, 18:16:37 UTCAdd .gitkeep26 October 2022, 18:16:37 UTC
a206075 Pierre Poulain26 October 2022, 18:15:17 UTCAdd README26 October 2022, 18:15:17 UTC
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